Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.0901   -1.2532    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -0.4630    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322    0.2946   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949   -0.0466    0.1906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    0.5682   -0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    1.4104   -1.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640    0.2791   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.2028   -0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9671    0.5376    1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385    1.0521   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020   -1.3367   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7996   -1.8102    0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884   -0.3834    1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651    1.4081    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3680    0.1137   -1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8189   -1.3716   -1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -1.5905   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8581   -1.7144   -0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182    1.4460    1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6952   -0.3230    1.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571    0.6588    1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    0.5439   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    1.1032   -2.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    2.0798   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers